SCHEMBL11242972

SCHEMBL11242972

COc1ccc(C)c(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.51
PIN1 Q13526 1/20 0.51
PTPN1 P18031 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ABL1 P00519 1/20 0.48
ABCB1 P08183 1/20 0.48
BCR P11274 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A1 P04798 1/20 0.47
CYP2E1 P05181 1/20 0.47

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
SCHEMBL12687096 0.86 CYP1A1 (0.55) ALDH1A1ABL1ABCB1BCRRAB9A
SCHEMBL12736515 0.86 GSTP1 (0.47) BACE1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL17548649 0.85 ALKBH3 (0.50) BACE1ABL1ABCB1BCRCYP1A2
SCHEMBL17054243 0.84 ACHE (0.54) KDM4EALDH1A1HPGDSMN1; SMN2ABL1
SCHEMBL7822185 0.84 ESR2 (0.55) BACE1PIN1PTPN1KDM4EALDH1A1
SCHEMBL12325013 0.83 PTPN1 (0.57) BACE1PIN1PTPN1KDM4EALDH1A1
SCHEMBL29402037 0.83 PTPN1 (0.57) BACE1PIN1PTPN1KDM4EALDH1A1
SCHEMBL5551697 0.83 PTPN1 (0.57) BACE1PIN1PTPN1KDM4EALDH1A1
SCHEMBL21480791 0.82 CYP1A2 (0.48) KDM4EALDH1A1SMN1; SMN2ABL1ABCB1
Hydrogen Sulfide SCHEMBL27936907 0.82 PTPN1 (0.56) BACE1PIN1PTPN1KDM4EALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858952-B2 Compound and color conversion film comprising same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-11858952-B2 Compound and color conversion film comprising same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-20210347790-A1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME LG CHEM, LTD. (KR) 2021-11-11 US disclosed
EP-3110818-B1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2019-10-23 EP disclosed
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-07-27 US disclosed
US-9580430-B2 9H-pyrimido[4,5-B]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-02-28 US disclosed
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 US disclosed
US-8247234-B2 Isotopically labeled compositions and method LOS ALAMOS NATIONAL SECURITY, LLC (US) 2012-08-21 US disclosed
US-20110269985-A1 ISOTOPICALLY LABELED COMPOSITIONS AND METHOD LOS ALAMOS NATIONAL SECURITY, LLC (US) 2011-11-03 US disclosed
US-7977102-B2 Isotopically labeled compositions and method LOS ALAMOS NATIONAL SECURITY, LLC (US) 2011-07-12 US disclosed
US-4318783-A Process for the preparation of optionally substituted benzaldehyde dialkyl acetals BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US disclosed
EP-0012240-B1 PROCESS FOR MANUFACTURING OF OPTIONALLY SUBSTITUTED BENZALDEHYD-DIALKYL ACETALS BAYER AG (DE) 1982-01-20 EP disclosed
EP-0012240-A2 Process for manufacturing of optionally substituted benzaldehyd-dialkyl acetals BAYER AG (DE) 1980-06-25 EP disclosed
US-4181659-A Bis-penicillanoyloxy-alkanes LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1980-01-01 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 (5 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-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 BACE1 1160/4885PIN1 3249/4885PTPN1 3252/4885
US-20110269985-A1 ISOTOPICALLY LABELED COMPOSITIONS AND METHOD SRMS, NES, RPS27A BACE1 2613/4885PIN1 784/4885PTPN1 4513/4885
US-20210347790-A1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME BLVRB, CDYL, CRY1 BACE1 168/4885PIN1 377/4885PTPN1 2846/4885
US-11858952-B2 Compound and color conversion film comprising same BLVRB, CDYL, CRY1 BACE1 168/4885PIN1 377/4885PTPN1 2846/4885
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 BACE1 1160/4885PIN1 3249/4885PTPN1 3252/4885

“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.