SCHEMBL174780

SCHEMBL174780

CN1CCCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NOTUM Q6P988 2/20 0.49
USP2 O75604 1/20 0.48
CDK4 P11802 1/20 0.48
ALOX15 P16050 1/20 0.48
CCND1 P24385 1/20 0.48
TSHR P16473 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
AVPR2 P30518 8/20 0.44
AVPR1A P37288 7/20 0.44
OXTR P30559 3/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL23601610 0.98 MEN1 (0.50) ALDH1A1MEN1KMT2ANOTUMUSP2
SCHEMBL12013900 0.98 MEN1 (0.50) ALDH1A1MEN1KMT2ANOTUMUSP2
SCHEMBL29699544 0.94 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ANOTUMUSP2
SCHEMBL159025 0.94 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ANOTUMUSP2
SCHEMBL142091 0.85 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ANOTUMUSP2
Bromide SCHEMBL29602074 0.83 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ANOTUMUSP2
Hydrochloric Acid SCHEMBL22582303 0.83 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ANOTUMUSP2
SCHEMBL28443197 0.81 MEN1 (0.46) ALDH1A1MEN1KMT2ANOTUMTSHR
SCHEMBL23188902 0.80 NOTUM (0.46) ALDH1A1MEN1KMT2ANOTUMUSP2
SCHEMBL16707769 0.77 TP53 (0.42) ALDH1A1MEN1KMT2AUSP2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-10-26 US disclosed
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-10-26 US disclosed
EP-3596061-B1 COMPOUNDS USEFUL IN THE TREATMENT OR PREVENTION OF A PRMT5-MEDIATED DISORDER ARGONAUT THERAPEUTICS LTD (GB) 2023-09-06 EP disclosed
EP-4223746-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC MATERIAL Zeon Corporation (JP) 2023-08-09 EP disclosed
EP-3483141-B1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICALLY ANISOTROPIC MATERIAL ZEON CORP (JP) 2023-07-19 EP disclosed
US-20230060004-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-02-23 US disclosed
WO-2022271677-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed
WO-2022271650-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed
US-11345180-B2 Display medium for assessment and method for manufacturing same ZEON CORPORATION (JP) 2022-05-31 US disclosed
WO-2021198188-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER ENYO PHARMA (FR) 2021-10-07 WO disclosed
WO-2012030951-A1 FAST-DISSOLVE DOSAGE FORMS OF 5-HT2C AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2012-03-08 WO disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
WO-2007149728-A2 ARYL AND HETEROARYL TETRAHYDROBENZAZEPINE DERIVATIVES AND THEIR USE FOR TREATING GLAUCOMA ALCON RESEARCH, LTD. (US) 2007-12-27 WO disclosed
US-7229986-B2 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2007-06-12 US disclosed
US-7229986-B2 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2007-06-12 US disclosed
US-5420273-A Skin disorders and antitumor agents HOFFMAN-LA ROCHE INC. (US) 1995-05-30 US disclosed
US-5300522-A Treating inflammatory, allergic, rheumatic, immunological disorders HOFFMANN-LA ROCHE INC. (US) 1994-04-05 US disclosed
US-5164387-A Antitumor agents, skin disorders, antiinflammatory agents HOFFMANN-LAROCHE INC. (US) 1992-11-17 US disclosed
US-5037825-A Useful In The Treatment Of Neoplasms, Dermatoses And Aging Of The Skin HOFFMANN-LA ROCHE INC. (US) 1991-08-06 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 (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-20230060004-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK ALDH1A1 3992/4885MEN1 3337/4885KMT2A 2327/4885
US-20230339882-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF PTPRF, PTPRCAP, PTPRJ ALDH1A1 4192/4885MEN1 4553/4885KMT2A 3295/4885

“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.