SCHEMBL18299986

SCHEMBL18299986

Cc1cc(C(F)(F)F)cc2cc[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.38
S1PR1 P21453 1/20 0.35
HSD17B10 Q99714 2/20 0.35
BRD4 O60885 1/20 0.34
TAF1 P21675 1/20 0.34
BRPF1 P55201 1/20 0.34
CREBBP Q92793 1/20 0.34
CECR2 Q9BXF3 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
ESR1 P03372 1/20 0.34
NR3C1 P04150 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
NOTUM Q6P988 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
TNF P01375 1/20 0.32
RIPK1 Q13546 1/20 0.32
P2RX7 Q99572 1/20 0.32
PGR P06401 1/20 0.32
IDH1 O75874 2/20 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
SCHEMBL18876054 0.82 POLB (0.39) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL16629544 0.81 TNF (0.40) KIF11S1PR1HSD17B10ESR1TNF
SCHEMBL31078633 0.79 KIF11 (0.37) KIF11S1PR1HSD17B10ESR1TNF
SCHEMBL2431133 0.79 S1PR1 (0.38) KIF11S1PR1HSD17B10ESR1TNF
SCHEMBL18299868 0.79 AHR (0.46) KIF11S1PR1HSD17B10TNFRIPK1
SCHEMBL18299451 0.79 MPO (0.36) KIF11S1PR1HSD17B10ESR1PGR
SCHEMBL4484912 0.78 AHR (0.47) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL21865999 0.76 PGR (0.37) KIF11S1PR1P2RX7PGR
SCHEMBL4798726 0.75 CYP1A2 (0.40) HSD17B10BRD4TAF1BRPF1CREBBP
SCHEMBL18299898 0.75 KIF11 (0.35) KIF11S1PR1HSD17B10ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4650345-A1 HETEROCYCLIC COMPOUND AND USE THEREOF IN MEDICINE Kangbaida (Sichuan) Biotechnology Co., Ltd. (CN) 2025-11-19 EP disclosed
WO-2024149242-A1 HETEROCYCLIC COMPOUND AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2024-07-18 WO disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
EP-3436435-B1 SUBSTITUTED INDOLE DERIVATIVES AS DENGUE VIRAL REPLICATION INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2021-05-12 EP disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
CN-107820494-B Nuclear receptor modulators 艾伯维公司 2020-10-16 CN disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
EP-3307734-A1 NUCLEAR RECEPTOR MODULATORS AbbVie Inc. (US) 2018-04-18 EP disclosed
CN-107820494-A Nuclear receptor modulators 艾伯维公司 2018-03-20 CN disclosed
WO-2017167950-A1 SUBSTITUTED INDOLE DERIVATIVES AS DENGUE VIRAL REPLICATION INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2017-10-05 WO disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
WO-2016198908-A1 ROR NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
WO-2016198908-A1 ROR NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO 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 (3 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-20160362370-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 KIF11 4549/4885S1PR1 401/4885HSD17B10 577/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 KIF11 4549/4885S1PR1 401/4885HSD17B10 577/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 KIF11 4549/4885S1PR1 401/4885HSD17B10 577/4885

“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.