SCHEMBL3704482

SCHEMBL3704482

COC(=O)C12CCC(CC1)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 2/20 0.42
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 2/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL29645202 0.91 GLA (0.40) ALDH1A1NPSR1HTTGLAL3MBTL1
Isothiocyanate SCHEMBL27733961 0.89 ALDH1A1 (0.40) ALDH1A1NPSR1HTTGLAL3MBTL1
SCHEMBL9951753 0.88 NPSR1 (0.38) ALDH1A1NPSR1HTTGLAL3MBTL1
SCHEMBL5188438 0.86 NPSR1 (0.39) ALDH1A1NPSR1HTTGLAL3MBTL1
Hydrochloric Acid SCHEMBL29184967 0.84 NPSR1 (0.38) ALDH1A1NPSR1HTTGLAL3MBTL1
SCHEMBL2515948 0.82 ALDH1A1 (0.38) ALDH1A1NPSR1HTTGLAKMT2A
SCHEMBL17586310 0.81
SCHEMBL7485102 0.81 GLA (0.38) ALDH1A1NPSR1HTTGLAL3MBTL1
SCHEMBL7600486 0.80 ALDH1A1 (0.37) ALDH1A1NPSR1HTTKMT2ASCN1A
SCHEMBL30706809 0.80 GLA (0.37) ALDH1A1NPSR1HTTGLAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433212-A Biphenyl compound as immunomodulator and preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-12-06 CN claimed
CN-114698376-A Biphenyl compound as immunomodulator, and preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-07-01 CN claimed
US-12577260-B2 Biphenyl compound as immunomodulator, preparation method therefor and application thereof SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2026-03-17 US disclosed
US-20250325660-A1 IMMUNOMODULATOR COMPOUNDS AND METHODS OF USE INCYTE CORP (US) 2025-10-23 US disclosed
US-20250135059-A1 COMPOSITIONS COMPRISING FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY 2025-05-01 US disclosed
CN-118908978-A Tetrahydro-imidazo [4,5-c ] pyridine derivatives as PD-L1 immunomodulators 因赛特公司 2024-11-08 CN disclosed
CN-115677689-B Polysubstituted benzene PD-L1 inhibitor, composition and application thereof 杭州和正医药有限公司 2024-10-22 CN disclosed
CN-112752756-B Tetrahydro-imidazo [4,5-c ] pyridine derivatives as PD-L1 immunomodulators 因赛特公司 2024-06-25 CN disclosed
CN-115232125-B Polysubstituted benzene immunomodulatory compounds, composition and application thereof 杭州和正医药有限公司 2024-06-18 CN disclosed
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2024-06-13 US disclosed
CN-115175734-B Pyrido [3,2-D ] pyrimidine compounds as immunomodulators 因赛特公司 2024-04-19 CN disclosed
US-9057949-B2 Patterning process, resist composition, polymer, and polymerizable ester compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-06-16 US disclosed
US-20130157194-A1 PATTERNING PROCESS, RESIST COMPOSITION, POLYMER, AND POLYMERIZABLE ESTER COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-06-20 US disclosed
EP-2460785-A1 METHOD FOR PRODUCING ESTER COMPOUND Hitachi Chemical Company, Ltd. (JP) 2012-06-06 EP disclosed
CN-102471219-A Method for producing ester compound HITACHI CHEMICAL CO LTD 2012-05-23 CN disclosed
US-20120123146-A1 METHOD FOR PRODUCING ESTER COMPOUND HITACHI CHEMICAL COMPANY, LTD. (JP) 2012-05-17 US disclosed
EP-1261586-B1 CYCLOPROPYL-FUSED PYRROLIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV, PROCESSES FOR THEIR PREPARATION, AND THEIR USE BRISTOL MYERS SQUIBB CO (US) 2008-05-21 EP disclosed
CN-1698601-A Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl iv, processes for their preparation, and their use BRISTOL MYERS SQUIBB CO (US) 2005-11-23 CN disclosed
CN-1213028-C Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV, methods for their preparation and uses thereof BRISTOL MYERS SQUIBB CO (US) 2005-08-03 CN disclosed
CN-1427826-A Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV, methods for their preparation and uses thereof BRISTOL MYERS SQUIBB CO (US) 2003-07-02 CN 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-20250325660-A1 IMMUNOMODULATOR COMPOUNDS AND METHODS OF USE CD274, PDCD1LG2, PDCD1 ALDH1A1 1759/4885NPSR1 414/4885HTT 3206/4885
US-12577260-B2 Biphenyl compound as immunomodulator, preparation method therefor and application thereof CCR1, CCR6, CCL11 ALDH1A1 294/4885NPSR1 1431/4885HTT 4517/4885
US-20240190855-A1 CDK INHIBITORS AND METHODS OF USE THEREOF CDK3, CDK8, CDK6 ALDH1A1 3717/4885NPSR1 4649/4885HTT 3611/4885

“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.