SCHEMBL3335587

SCHEMBL3335587

O=[C]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 3/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ADRB2 P07550 1/20 0.42
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 1/20 0.41
BRD4 O60885 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP19A1 P11511 3/20 0.39
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
GAA P10253 1/20 0.36
GABBR2 O75899 2/20 0.35

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
SCHEMBL9189085 0.91 IDO1 (0.48) TSHRMAPK1HIF1ATDP1L3MBTL1
SCHEMBL96816 0.75 ADRB2 (0.50) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL11015372 0.75 ADRB2 (0.50) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL4433661 0.75 BRD4 (0.42) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL8075817 0.75 TSHR (0.41) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL8909503 0.74 LMNA (0.48) TDP1LMNAHPGDALDH1A1HDAC4
SCHEMBL9181782 0.74 ESR1 (0.46) TSHRHIF1ATDP1LMNAHPGD
SCHEMBL7825067 0.74 ALDH1A1 (0.60) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL3719325 0.74 TSHR (0.44) TSHRMAPK1HIF1ATDP1LMNA
SCHEMBL11798306 0.72 ALDH1A1 (0.41) TSHRMAPK1HIF1ATDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 US claimed
US-20090088454-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-04-02 US claimed
EP-0662965-A1 1,2-DISUBSTITUTED ETHYL AMIDES AS INHIBITORS OF ACAT SCHERING CORPORATION (US) 1995-07-19 EP claimed
WO-1994006784-A1 1,2-DISUBSTITUTED ETHYL AMIDES AS INHIBITORS OF ACAT SCHERING CORPORATION (US) 1994-03-31 WO claimed
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 US disclosed
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
US-20100144678-A1 COMPOSITIONS AND METHODS FOR TREATING BONE CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2010-06-10 US disclosed
US-20090088454-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-04-02 US disclosed
US-7427496-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-23 US disclosed
US-20060183772-A1 To inhibit tumor growth in an animal; to induce apoptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-17 US disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
US-5607931-A AMIDES SCHERING CORPORATION (US) 1997-03-04 US disclosed
US-5321031-A Treating cardiovascular disorders SCHERING CORPORATION (US) 1994-06-14 US disclosed
WO-1994006784-A1 1,2-DISUBSTITUTED ETHYL AMIDES AS INHIBITORS OF ACAT SCHERING CORPORATION (US) 1994-03-31 WO disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5149709-A Treatment of atherosclerosis SCHERING CORPORATION (US) 1992-09-22 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP disclosed
US-3974162-A 4-Pyrimidinylthioacetic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-10 US disclosed
US-3940394-A ANTILIPEMIC SANTILLI ARTHUR A 1976-02-24 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 (1 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-20100144678-A1 COMPOSITIONS AND METHODS FOR TREATING BONE CANCER BDKRB1, BDKRB2, HPGDS TSHR 3983/4885MAPK1 1063/4885HIF1A 668/4885

“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.