SCHEMBL2180083

SCHEMBL2180083

[c]1ccccc1OCCN1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
LTA4H P09960 6/20 0.50
TDP1 Q9NUW8 1/20 0.50
PSMB1 P20618 2/20 0.49
PSMB5 P28074 2/20 0.49
BACE1 P56817 1/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HRH1 P35367 2/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
DRD3 P35462 1/20 0.48
PSMB2 P49721 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL956747 0.98 LTA4H (0.51) TSHRLTA4HTDP1POLB
SCHEMBL3583393 0.92 HRH3 (0.54) KDM4ESMN1; SMN2HRH1
SCHEMBL8623642 0.90 ALDH1A1 (0.55) KDM4ESMN1; SMN2HRH1DRD2DRD1
SCHEMBL2182155 0.86 LTA4H (0.51) LTA4HTDP1POLBKDM4EDRD3
SCHEMBL826085 0.84 NPC1 (0.54) LTA4HPOLBKDM4EDRD1DRD4
SCHEMBL5656583 0.83 ESR1 (0.37) TSHRLTA4HKDM4ESMN1; SMN2HRH1
SCHEMBL3960266 0.81 ALDH1A1 (0.37) TSHRLTA4HTDP1POLBKDM4E
SCHEMBL2183678 0.79 NOS3 (0.47) KDM4ESMN1; SMN2DRD2
SCHEMBL6292255 0.78 HRH3 (0.54) LTA4HPOLBKDM4EHRH1DRD2
SCHEMBL2180630 0.78 LTA4H (0.55) LTA4HKDM4ESMN1; SMN2HRH1DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
US-5731342-A FOR TREATING AND PREVENTING POSTMENOPAUSAL SYNDROME AND BREAST CANCER ELI LILLY AND COMPANY (US) 1998-03-24 US claimed
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
US-20220409552-A1 FORMULATIONS OF TERAMEPROCOL AND TEMOZOLOMIDE AND THEIR USE IN STIMULATION OF HUMORAL IMMUNITY IN TUMORS NATIONAL YANG MING CHIAO TUNG UNIVERSITY (TW) 2022-12-29 US disclosed
WO-2021108601-A1 FORMULATIONS OF TERAMEPROCOL AND TEMOZOLOMIDE AND THEIR USE IN STIMULATION OF HUMORAL IMMUNITY IN TUMORS THE JOHNS HOPKINS UNIVERSITY (US) 2021-06-03 WO disclosed
US-20190111040-A1 IN VIVO AMELIORATION OF ENDOGENOUS ANTI-TUMOR AUTOANTIBODIES TARGETING SURFACE TUMOR ANTIGENS VIA LOW-DOSE P4N UNIV JOHNS HOPKINS (US) 2019-04-18 US disclosed
EP-3436008-A1 IN VIVO AMELIORATION OF ENDOGENOUS ANTI-TUMOR AUTOANTIBODIES TARGETING SURFACE TUMOR ANTIGENS VIA LOW-DOSE P4N The Johns Hopkins University (US) 2019-02-06 EP disclosed
WO-2017173022-A1 IN VIVO AMELIORATION OF ENDOGENOUS ANTI-TUMOR AUTOANTIBODIES TARGETING SURFACE TUMOR ANTIGENS VIA LOW-DOSE P4N THE JOHNS HOPKINS UNIVERSITY (US) 2017-10-05 WO disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US disclosed
EP-1102755-B1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORP (US) 2006-01-04 EP disclosed
US-6869969-B2 Estrogen receptor modulators CHIRON CORPORATION (US) 2005-03-22 US disclosed
US-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 US disclosed
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors CHIRON CORPORATION 2004-05-27 US disclosed
US-20030065012-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2003-04-03 US disclosed
US-6387920-B2 ISOXAZOLE COMPOUNDS; FOR TREATING ESTROGEN RECEPTOR-MEDIATED DISORDERS SUCH AS OSTEOPOROSIS, BREAST AND ENDOMETRIAL CANCERS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE CHIRON CORPORATION 2002-05-14 US disclosed
US-20010036956-A1 Estrogen receptor modulators HUEBNER VERENA D (US) 2001-11-01 US disclosed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 US disclosed
US-5886025-A METHOXY AND ETHOXY SUBSTITUTED 3-AROYL-2-ARYLBENZO(B)THIOPHENES AND BENZO(B)THIOPHENE ANALOGUES BAYLOR UNIVERSITY (US) 1999-03-23 US disclosed
US-5856341-A INHIBITING BONE LOSS OR BONE RESORPTION, PARTICULARLY OSTEOPOROSIS, CARDIOVASCULAR-RELATED PATHOLOGICAL CONDITIONS INCLUDING HYPERLIPIDEMIA, ESTROGEN-DEPENDENT CANCER ELI LILLY AND COMPANY (US) 1999-01-05 US disclosed
US-5798351-A USEFUL FOR INHIBITING BONE LOSS, LOWERING SEUM CHOLESTEROL LEVELS AND TREATING HORMONE DEPENDENT MAMMALIAN BREAST AND UTERINE CANCER ELI LILLY AND COMPANY (US) 1998-08-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 TSHR 247/4885LTA4H 886/4885TDP1 3767/4885
US-20190111040-A1 IN VIVO AMELIORATION OF ENDOGENOUS ANTI-TUMOR AUTOANTIBODIES TARGETING SURFACE TUMOR ANTIGENS VIA LOW-DOSE P4N ATP5F1A, SLC25A6, FCGRT TSHR 3211/4885LTA4H 1668/4885TDP1 3336/4885
US-20220409552-A1 FORMULATIONS OF TERAMEPROCOL AND TEMOZOLOMIDE AND THEIR USE IN STIMULATION OF HUMORAL IMMUNITY IN TUMORS PTGES, MYD88, GMFG TSHR 910/4885LTA4H 683/4885TDP1 1886/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 TSHR 247/4885LTA4H 886/4885TDP1 3767/4885
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 TSHR 4571/4885LTA4H 3758/4885TDP1 3665/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR TSHR 2089/4885LTA4H 2556/4885TDP1 941/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 TSHR 557/4885LTA4H 1094/4885TDP1 2356/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.