SCHEMBL97044

SCHEMBL97044

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.52
RARB P10826 2/20 0.50
RARG P13631 1/20 0.50
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.46
TYR P14679 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SRD5A2 P31213 1/20 0.40
CYP1A2 P05177 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
EPHX2 P34913 1/20 0.39
ACACB O00763 2/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL11034843 0.87 KIF11 (0.42) KIF11RARBRARGTSHRLMNA
SCHEMBL2868881 0.78 KIF11 (0.56) KIF11RARBRARGTSHRLMNA
SCHEMBL25413986 0.78 RARB (0.65) KIF11RARBRARGTSHRLMNA
SCHEMBL19875742 0.78 KIF11 (0.56) KIF11RARBRARGTSHRLMNA
SCHEMBL7364375 0.77 ALDH1A1 (0.68) LMNAALDH1A1HDAC1SMN1; SMN2CYP1A2
SCHEMBL13676290 0.77 RARB (0.53) KIF11RARBRARGTSHRLMNA
SCHEMBL3239579 0.77 KIF11 (0.32) KIF11RARBRARG
SCHEMBL424728 0.76 TSHR (0.73) KIF11TSHRLMNATYRALDH1A1
SCHEMBL104811 0.76 APP (0.32)
SCHEMBL1611698 0.76 KIF11 (0.54) KIF11RARBRARGTSHRLMNA

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 1312 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN claimed
CN-113929695-B Sulfimide psoralen derivatives, and preparation method and application thereof 南开大学 2024-06-07 CN claimed
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2024-02-01 US claimed
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction OHIO STATE INNOVATION FOUNDATION (US) 2023-02-14 US claimed
US-11358937-B2 Reagents based on a tertiary amine backbone to introduce chemical functionality in nucleic acids and sequence-controlled polymers THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2022-06-14 US claimed
CN-112028811-B 4-iodo-indole compound and preparation method thereof 平顶山学院 2022-03-22 CN claimed
CN-112028812-B 4-bromoindole compound and preparation method thereof 平顶山学院 2022-03-22 CN claimed
CN-112028813-B 4-chloro indole compound and preparation method thereof 平顶山学院 2022-03-22 CN claimed
CN-113929695-A Sulfenimide psoralen derivatives, and preparation method and application thereof 南开大学 2022-01-14 CN claimed
CN-113698312-A Synthetic method of aromatic amide alkene compound 南京先进生物材料与过程装备研究院有限公司 2021-11-26 CN claimed
US-4323676-A Process for preparing cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-04-06 US claimed
US-4286088-A Process for preparing 7-aminocephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-08-25 US claimed
US-4245088-A Novel 3-acyloxymethyl-cephem compounds useful as intermediates for preparing cephalosporin antibiotics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-01-13 US claimed
EP-0011288-A1 p-Tert.-butylbenzotribromide and his derivatives which are substituted in the ring by halogen, a process for their preparation as well as their use. HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-28 EP claimed
US-4166178-A 3-ACYLOXYMETHYL-CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-08-28 US claimed
US-4068071-A DISULFIDING, SOLVOLYSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1978-01-10 US claimed
US-4068072-A CHLORINATION OR BROMINATION, SOLVOLYSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1978-01-10 US claimed
US-4011214-A 3-(MORPHOLINOALKOXYIMINOMETHYL)CEPHEM COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-08 US claimed
US-4003875-A ULTRAVIOLET ABSORBERS CIBA-GEIGY CORPORATION (US) 1977-01-18 US claimed
US-3984401-A Process for producing lactol-type cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US claimed

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-11358937-B2 Reagents based on a tertiary amine backbone to introduce chemical functionality in nucleic acids and sequence-controlled polymers ADAR, SPOUT1, RNGTT KIF11 1656/4885RARB 4313/4885RARG 4426/4885
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 KIF11 4622/4885RARB 4284/4885RARG 4546/4885
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 KIF11 4622/4885RARB 4284/4885RARG 4546/4885

“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.