SCHEMBL13611510

SCHEMBL13611510

CCC(C)(C)c1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
CYP3A4 P08684 2/20 0.46
AHR P35869 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
FFAR1 O14842 1/20 0.45
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2A P28223 5/20 0.42
HTR1A P08908 4/20 0.42
HTR6 P50406 2/20 0.42
HTR2C P28335 2/20 0.41

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
SCHEMBL7029009 0.87 GPR84 (0.49) GPR84ATMMEN1KMT2AMAPT
SCHEMBL18923935 0.86 GPR84 (0.46) GPR84ATMMEN1KMT2AMAPT
SCHEMBL30969153 0.86 GPR84 (0.46) GPR84ATMMEN1KMT2AMAPT
SCHEMBL19059561 0.85 GPR84 (0.47) GPR84ATMMEN1KMT2AMAPT
SCHEMBL273916 0.84 HTR2A (0.47) GPR84ATMMEN1KMT2AMAPT
SCHEMBL29611302 0.84 HTR2A (0.47) GPR84ATMMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL30098563 0.82 PMP22 (0.49) GPR84ATMMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL4526379 0.82 PMP22 (0.49) GPR84ATMMEN1KMT2AMAPT
SCHEMBL28981236 0.80 MAPT (0.45) GPR84ATMMEN1KMT2AMAPT
SCHEMBL13335152 0.80 ATM (0.54) GPR84ATMMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025903-A1 Bicyclic Compounds and Uses Thereof for the Treatment of Diseases ATHIRA PHARMA, INC. (US) 2024-01-25 US disclosed
US-20230110648-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR C4 THERAPEUTICS, INC. (US) 2023-04-13 US disclosed
US-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TONGJI UNIVERSITY (CN) 2023-01-26 US disclosed
US-20210379033-A1 METHODS OF TREATING CANCER WITH ARYL HYDROCARBON RECEPTOR ANTAGONISTS EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-12-09 US disclosed
US-10954273-B2 Hybrid cyclic libraries and screens thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-03-23 US disclosed
US-20190389911-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF THE JOHNS HOPKINS UNIVERSITY 2019-12-26 US disclosed
US-10351572-B2 Aryl hydrocarbon receptor antagonists and uses thereof Magenta Therapeutics Inc. (US) 2019-07-16 US disclosed
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 Theraprutics, Inc. (US) 2019-03-14 US disclosed
US-9889213-B2 Multimodal imaging of fibrin THE GENERAL HOSPITAL CORPORATION (US) 2018-02-13 US disclosed
US-8778305-B2 PSMA-binding agents and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-15 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 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 (9 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-20230025301-A1 Novel Heterocyclic Derivatives with Cardiomyocyte Proliferation Activity for Treatment of Heart Diseases TNNI3, TNNT2, MKI67 GPR84 3130/4885ATM 4740/4885MEN1 3479/4885
US-10954273-B2 Hybrid cyclic libraries and screens thereof CACYBP, HSPBP1, PEBP1 GPR84 3317/4885ATM 4313/4885MEN1 2998/4885
US-20190389911-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF CACYBP, HSPBP1, PEBP1 GPR84 3317/4885ATM 4313/4885MEN1 2998/4885
US-20240025903-A1 Bicyclic Compounds and Uses Thereof for the Treatment of Diseases HDGF, HGF, BDNF GPR84 1288/4885ATM 3246/4885MEN1 2140/4885
US-20230110648-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR EGFR, ERBB2, ERBB3 GPR84 1879/4885ATM 338/4885MEN1 3601/4885
US-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION GCGR, STUB1, GID4 GPR84 1302/4885ATM 3258/4885MEN1 213/4885
US-10351572-B2 Aryl hydrocarbon receptor antagonists and uses thereof AHR, ARNT, AIPL1 GPR84 44/4885ATM 3797/4885MEN1 4784/4885
US-20210379033-A1 METHODS OF TREATING CANCER WITH ARYL HYDROCARBON RECEPTOR ANTAGONISTS AHR, ARNT, NCOR1 GPR84 36/4885ATM 3112/4885MEN1 4680/4885
US-20190192668-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 GPR84 1294/4885ATM 194/4885MEN1 4055/4885

“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.