SCHEMBL901048

SCHEMBL901048

[CH2]c1cc(Cl)cc(Cl)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TSHR P16473 7/20 0.48
AHR P35869 7/20 0.48
HSD17B10 Q99714 6/20 0.48
HPGD P15428 5/20 0.48
CYP3A4 P08684 5/20 0.41
RECQL P46063 2/20 0.41
CASP1 P29466 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
TP53 P04637 1/20 0.35
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
NR1I2 O75469 1/20 0.32
SLC22A3 O75751 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL358001 0.77 ALDH1A1 (1.00) ALDH1A1TSHRAHRHSD17B10HPGD
SCHEMBL2130354 0.73 CYP3A4 (0.59) ALDH1A1TSHRAHRHSD17B10HPGD
SCHEMBL1615211 0.72 HSD17B10 (0.65) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL560391 0.71 ALDH1A1 (0.86) ALDH1A1TSHRAHRHSD17B10HPGD
SCHEMBL901011 0.71 ALDH1A1 (0.53) ALDH1A1TSHRAHRHSD17B10HPGD
SCHEMBL3161558 0.71 ALDH1A1 (0.61) ALDH1A1TSHRAHRHSD17B10HPGD
SCHEMBL2930780 0.69 ALDH1A1 (0.69) ALDH1A1TSHRAHRHSD17B10HPGD
SCHEMBL28031894 0.69 ALDH1A1 (0.38) ALDH1A1TSHRAHRHSD17B10HPGD
SCHEMBL3976495 0.67 ACHE (0.37) ALDH1A1TSHRHSD17B10HPGDCYP3A4
SCHEMBL16958895 0.67 ALDH1A1 (0.43) ALDH1A1AHRHSD17B10HPGDCYP3A4

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-10752628-B2 Compounds and methods for treating synovial sarcomas THE BROAD INSTITUTE, INC. (US) 2020-08-25 US disclosed
US-20180327407-A1 COMPOUNDS AND METHODS FOR TREATING SYNOVIAL SARCOMAS HOWARD HUGHES MEDICAL INSTITUTE 2018-11-15 US disclosed
EP-3377499-A1 COMPOUNDS AND METHODS FOR TREATING SYNOVIAL SARCOMAS Kadoch, Cigall (US) 2018-09-26 EP disclosed
EP-1389216-B1 AVERMECTINS SUBSTITUTED IN THE 4\"-POSITION HAVING PESTICIDAL PROPERTIES MERIAL INC (US) 2017-02-22 EP disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
US-7732416-B2 For protecting plants against parasitic feeding pests; also against the infestation of pets, especially cats and dogs, by fleas, ticks and nematodes; pesticides for crop protection MERIAL LIMITED (US) 2010-06-08 US disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180897-B1 5-FLUOROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP 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 (2 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-20180327407-A1 COMPOUNDS AND METHODS FOR TREATING SYNOVIAL SARCOMAS EWSR1, TP53, PAX3 ALDH1A1 118/4885TSHR 3887/4885AHR 1581/4885
US-10752628-B2 Compounds and methods for treating synovial sarcomas EWSR1, TP53, PAX3 ALDH1A1 118/4885TSHR 3887/4885AHR 1581/4885

“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.